SCHEMBL21396763

SCHEMBL21396763

N#Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)n2)cc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
IRAK4 Q9NWZ3 4/20 0.34
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IMPDH2 P12268 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21396648 0.84 IMPDH2 (0.33) IRAK4KDM4EL3MBTL1MEN1CYP1A2
SCHEMBL21396701 0.83 CYP11B1 (0.39) CYP11B1CYP11B2KDM4EL3MBTL1MEN1
SCHEMBL19062273 0.82 KDM4E (0.42) CYP11B1CYP11B2KDM4EL3MBTL1MAPT
SCHEMBL24924875 0.82 CYP11B2 (0.53) CYP11B1CYP11B2MEN1KMT2ANPSR1
SCHEMBL21396953 0.82 IMPDH2 (0.34) IRAK4KDM4EL3MBTL1MEN1KMT2A
SCHEMBL21397043 0.81 PLAUR (0.37) CYP11B1CYP11B2KDM4EL3MBTL1MAPT
SCHEMBL21396765 0.80 ALDH1A1 (0.36) CYP11B1CYP11B2KDM4EL3MBTL1MEN1
SCHEMBL19933128 0.79 GSK3B (0.46) CYP11B1CYP11B2KDM4EL3MBTL1MAPT
SCHEMBL21397072 0.79 NPSR1 (0.36) CYP11B1CYP11B2IRAK4KDM4EMAPT
SCHEMBL28513340 0.79 CYP11B1 (0.40) CYP11B1CYP11B2KDM4EL3MBTL1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 CYP11B1 1877/4885CYP11B2 1859/4885IRAK4 1953/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.